SCHEMBL9713792

SCHEMBL9713792

CCC(C)(CC)c1cnc(NC(=O)c2c(OC)cccc2OC)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
ABL1 P00519 2/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RIN1 Q13671 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9713078 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9713207 0.86 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9713194 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712819 0.72 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712774 0.71 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9713494 0.71 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712864 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9713168 0.71 CYP1A2 (0.64) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
Isoxaben SCHEMBL54432 0.70 CYP1A2 (0.53) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9712911 0.70 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed